N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride

C22H22ClN5O2 — CID 171615084

IUPACN-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride
SMILESCOc1cc2nccc(NN=Cc3ccc(-n4ccnc4)c(C)c3)c2cc1OC.Cl
InChIInChI=1S/C22H21N5O2.ClH/c1-15-10-16(4-5-20(15)27-9-8-23-14-27)13-25-26-18-6-7-24-19-12-22(29-3)21(28-2)11-17(18)19;/h4-14H,1-3H3,(H,24,26);1H
InChIKeyFWJVSAXFLVKGGI-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.61
Rot. Bonds6

About N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride

N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride (PubChem CID 171615084) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride
PubChem CID171615084
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC NameN-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride
SMILESCOc1cc2nccc(NN=Cc3ccc(-n4ccnc4)c(C)c3)c2cc1OC.Cl
InChIInChI=1S/C22H21N5O2.ClH/c1-15-10-16(4-5-20(15)27-9-8-23-14-27)13-25-26-18-6-7-24-19-12-22(29-3)21(28-2)11-17(18)19;/h4-14H,1-3H3,(H,24,26);1H
InChIKeyFWJVSAXFLVKGGI-UHFFFAOYSA-N
XLogP4.61
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-[(E)-(3-fluoro-4-imidazol-1-ylphenyl)methylideneamino]quinolin-4-amine;hydrochloride
CID 172537212
N-[(E)-[4-(1H-imidazol-3-ium-3-yl)-3-methylphenyl]methylideneamino]-6,7-dimethoxyquinolin-4-amine
CID 172537213
N-[(E)-(3,4-dimethoxy-5-methylphenyl)methylideneamino]-4-imidazol-1-ylaniline
CID 142947750
7-chloro-N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 6064369
6,7-dimethoxy-N-methylquinolin-4-amine
CID 62190466
N-[(E)-(4-chlorophenyl)methylideneamino]-7-methoxyquinolin-4-amine
CID 45481189
6-methoxy-N-[(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 44537167
1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786
methane;4,6,7-trimethoxyquinoline
CID 157066291
1-(4-bromo-2-methylphenyl)imidazole
CID 70332968
2-[(6,7-dimethoxyquinolin-4-yl)amino]ethanol
CID 159856965
dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate
CID 159846685

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride?
The IUPAC name of N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride (CID 171615084) is N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride.
What is the SMILES notation for N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride?
The canonical SMILES for N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride is COc1cc2nccc(NN=Cc3ccc(-n4ccnc4)c(C)c3)c2cc1OC.Cl.
What is the InChIKey of N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride?
The InChIKey is FWJVSAXFLVKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.ClH/c1-15-10-16(4-5-20(15)27-9-8-23-14-27)13-25-26-18-6-7-24-19-12-22(29-3)21(28-2)11-17(18)19;/h4-14H,1-3H3,(H,24,26);1H.
What are the key properties of N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride?
N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride has a molecular weight of 423.90 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-yl-3-methylphenyl)methylideneamino]-6,7-dimethoxyquinolin-4-amine;hydrochloride is sourced from PubChem (CID 171615084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).